3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol

C12H19N3O — CID 103725176

IUPAC3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCC(C)c1cc(N2CCC(C)(O)C2)ncn1
InChIInChI=1S/C12H19N3O/c1-9(2)10-6-11(14-8-13-10)15-5-4-12(3,16)7-15/h6,8-9,16H,4-5,7H2,1-3H3
InChIKeyKMBJRDOGFCJXKD-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.56
Rot. Bonds2

About 3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol

3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 103725176) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID103725176
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCC(C)c1cc(N2CCC(C)(O)C2)ncn1
InChIInChI=1S/C12H19N3O/c1-9(2)10-6-11(14-8-13-10)15-5-4-12(3,16)7-15/h6,8-9,16H,4-5,7H2,1-3H3
InChIKeyKMBJRDOGFCJXKD-UHFFFAOYSA-N
XLogP1.56
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 103725125
7-(6-propan-2-ylpyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131025765
3-methyl-1-(6-propylpyrimidin-4-yl)pyrrolidin-3-ol
CID 103357775
2-methyl-7-(6-propan-2-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 72930014
3-methyl-1-(6-propan-2-yl-3-pyridinyl)pyrrolidin-3-ol
CID 153422486
1-[4-[(1S)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876735
1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876717
1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 115871308
1-(5-aminopyrazin-2-yl)-3-methylpyrrolidin-3-ol
CID 103358812
4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol
CID 81109322
4-propan-2-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 72871048
[(3R)-3-(3-phenylpropyl)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95197853

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol (CID 103725176) is 3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol is CC(C)c1cc(N2CCC(C)(O)C2)ncn1.
What is the InChIKey of 3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is KMBJRDOGFCJXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)10-6-11(14-8-13-10)15-5-4-12(3,16)7-15/h6,8-9,16H,4-5,7H2,1-3H3.
What are the key properties of 3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 103725176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).